3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one

C12H13NO2 — CID 865117

IUPAC3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CO)cc12
InChIInChI=1S/C12H13NO2/c1-7-3-4-8(2)11-10(7)5-9(6-14)12(15)13-11/h3-5,14H,6H2,1-2H3,(H,13,15)
InChIKeyQQCYWFHNUDCFQV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.64
Rot. Bonds1

About 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one

3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one (PubChem CID 865117) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one
PubChem CID865117
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(CO)cc12
InChIInChI=1S/C12H13NO2/c1-7-3-4-8(2)11-10(7)5-9(6-14)12(15)13-11/h3-5,14H,6H2,1-2H3,(H,13,15)
InChIKeyQQCYWFHNUDCFQV-UHFFFAOYSA-N
XLogP1.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one (CID 865117) is 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c(CO)cc12.
What is the InChIKey of 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one?
The InChIKey is QQCYWFHNUDCFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-3-4-8(2)11-10(7)5-9(6-14)12(15)13-11/h3-5,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one?
3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 865117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).